1-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]ethanone

C8H13N3OS — CID 42647777

IUPAC1-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C8H13N3OS/c1-4(2)10-8-11-7(9)6(13-8)5(3)12/h4H,9H2,1-3H3,(H,10,11)
InChIKeyDGKLPGLKGPSPJC-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.75
Rot. Bonds3

About 1-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]ethanone

1-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]ethanone (PubChem CID 42647777) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]ethanone
PubChem CID42647777
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C8H13N3OS/c1-4(2)10-8-11-7(9)6(13-8)5(3)12/h4H,9H2,1-3H3,(H,10,11)
InChIKeyDGKLPGLKGPSPJC-UHFFFAOYSA-N
XLogP1.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]ethanone (CID 42647777) is 1-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(NC(C)C)nc1N.
What is the InChIKey of 1-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is DGKLPGLKGPSPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-4(2)10-8-11-7(9)6(13-8)5(3)12/h4H,9H2,1-3H3,(H,10,11).
What are the key properties of 1-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]ethanone?
1-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 199.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 42647777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).